Continuous shouldered well model

The continuous shouldered well model (CSW) is given by (^[1] Eq. 1):

\Phi _{12}(r)={\frac {U_{R}}{1+\exp[\Delta (r-R_{R})/a]}}-U_{A}\exp \left[-{\frac {(r-R_{A})^{2}}{2\delta _{A}^{2}}}\right]+\left({\frac {a}{r}}\right)^{24}

where $\Phi _{12}$ is the intermolecular pair potential, $U_{R}$ is the energy of the repulsive shoulder, $U_{A}$ is the energy of the attractive well, $a$ is the diameter of the particles, and $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$ .

References[edit]

↑ Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids 136 pp. 267-273 (2007)

Related reading

[1] Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids 136 pp. 267-273 (2007)

[1]

Continuous shouldered well model

References[edit]

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